Geometry & MOs

Info

ID:	72626
PubChem CID:	48416374
Reduced:	N4O6C19H26 (1)
Stoich.:	A4B6C19D26 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-217.03
Dipole, Da:	4.97
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(benzotriazol-1-ylmethyl)benzoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCC(=O)N)OC)C(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations